methyl 2-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzoate Openeye Name: methyl 2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzoate CAS Name: 2-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-nitrobenzoate Traditional Name: 2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzoic acid methyl ester Formula: C15H20N3O5+ MolecularWeight: 322.3364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C15H19N3O5/c1-23-15(20)11-5-2-6-13(18(21)22)12(11)9-17-7-3-4-10(8-17)14(16)19/h2,5-6,10H,3-4,7-9H2,1H3,(H2,16,19)/p+1/t10-/m0/s1